==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 04-NOV-10 2XWK . COMPND 2 MOLECULE: SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR M.FISCHER,R.E.HUBBARD . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 3 0 0 1 2 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 54 0, 0.0 3,-0.4 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 165.2 32.5 11.3 -4.2 2 2 A D + 0 0 112 32,-0.3 2,-0.5 1,-0.3 34,-0.2 0.904 360.0 28.4 -57.4 -41.0 32.6 13.7 -7.2 3 3 A Y E S-a 36 0A 52 32,-2.4 34,-2.4 2,-0.0 2,-1.1 -0.912 72.2-171.7-125.0 102.9 29.6 11.7 -8.6 4 4 A D E -a 37 0A 104 -2,-0.5 2,-0.2 -3,-0.4 34,-0.2 -0.800 24.8-177.8 -91.6 95.9 27.4 10.1 -5.9 5 5 A L E -a 38 0A 5 32,-2.9 34,-3.0 -2,-1.1 2,-0.4 -0.627 17.5-145.5-106.3 162.4 25.2 8.0 -8.2 6 6 A K E -a 39 0A 94 32,-0.2 57,-2.0 -2,-0.2 56,-0.8 -0.970 5.9-163.9-131.6 137.9 22.3 5.7 -7.4 7 7 A F E -ab 40 63A 1 32,-2.8 34,-2.7 -2,-0.4 2,-0.3 -0.973 15.3-163.7-125.1 112.3 21.1 2.4 -9.1 8 8 A G E +ab 41 64A 0 55,-2.2 57,-0.7 -2,-0.5 2,-0.3 -0.729 13.1 167.6 -97.1 149.1 17.5 1.4 -8.3 9 9 A M - 0 0 2 32,-2.3 35,-2.2 -2,-0.3 36,-0.4 -0.994 42.1-137.0-156.5 152.1 16.0 -2.1 -8.8 10 10 A N S S+ 0 0 39 -2,-0.3 -1,-0.1 33,-0.2 37,-0.0 0.798 82.7 92.8 -69.4 -37.4 12.9 -4.2 -7.9 11 11 A A S S- 0 0 8 32,-0.1 32,-2.4 31,-0.1 33,-0.3 -0.238 74.5-126.0 -62.9 150.8 15.2 -7.2 -7.3 12 12 A G > - 0 0 5 30,-0.2 3,-1.7 31,-0.1 6,-0.4 -0.285 29.5 -87.3 -94.1-176.8 16.4 -7.9 -3.7 13 13 A T T 3 S+ 0 0 93 1,-0.3 -2,-0.1 -2,-0.1 -1,-0.0 0.627 122.5 55.1 -69.5 -13.8 19.8 -8.3 -2.0 14 14 A S T 3 S+ 0 0 87 180,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.304 91.7 107.4 -98.0 9.6 19.8 -12.1 -2.7 15 15 A S S <> S- 0 0 3 -3,-1.7 4,-2.3 1,-0.1 5,-0.1 -0.460 76.3-126.3 -95.9 158.0 19.3 -11.8 -6.4 16 16 A N H > S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.886 112.8 57.3 -57.6 -43.1 21.5 -12.2 -9.5 17 17 A E H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 108.0 46.6 -56.7 -44.7 20.5 -8.7 -10.6 18 18 A Y H > S+ 0 0 44 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.927 111.1 51.4 -65.9 -45.1 21.9 -7.3 -7.3 19 19 A K H X S+ 0 0 73 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.903 112.6 45.7 -57.3 -43.0 25.1 -9.3 -7.5 20 20 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.891 110.8 52.6 -70.2 -37.7 25.7 -8.1 -11.1 21 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.868 107.2 53.9 -63.1 -38.1 24.9 -4.5 -10.1 22 22 A E H X S+ 0 0 93 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.908 108.0 49.1 -59.5 -43.2 27.5 -4.9 -7.2 23 23 A M H X S+ 0 0 68 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.937 111.7 49.8 -61.1 -46.6 30.1 -6.0 -9.8 24 24 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.937 111.6 47.9 -53.3 -52.5 29.2 -2.9 -11.9 25 25 A A H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 13,-0.3 0.882 112.0 49.9 -59.3 -42.2 29.5 -0.5 -9.0 26 26 A K H X S+ 0 0 121 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.920 112.1 46.4 -65.7 -44.4 32.8 -2.0 -7.9 27 27 A E H X S+ 0 0 23 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.909 112.0 50.5 -66.2 -41.9 34.4 -1.7 -11.4 28 28 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 8,-0.3 0.929 111.4 48.5 -64.1 -43.7 33.1 1.8 -11.9 29 29 A K H <>S+ 0 0 104 -4,-2.3 5,-2.7 -5,-0.2 6,-0.2 0.920 117.1 42.6 -59.8 -45.9 34.6 3.0 -8.5 30 30 A E H ><5S+ 0 0 111 -4,-2.3 3,-1.6 3,-0.2 -2,-0.2 0.959 117.5 42.9 -66.6 -50.4 37.9 1.3 -9.2 31 31 A K H 3<5S+ 0 0 121 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.698 111.3 54.8 -78.3 -16.8 38.3 2.4 -12.9 32 32 A S T ><5S- 0 0 1 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.3 0.263 112.6-119.6 -87.5 3.7 37.1 5.9 -12.2 33 33 A Q T < 5S- 0 0 174 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.849 71.7 -53.7 58.3 34.2 39.8 6.2 -9.5 34 34 A G T 3 + 0 0 7 0, 0.0 3,-1.8 0, 0.0 -30,-0.2 -0.095 45.8 45.2 -85.9-176.0 17.0 -2.7 -4.1 43 43 A S T 3 S- 0 0 58 -32,-2.4 -33,-0.2 1,-0.3 -31,-0.1 0.765 123.3 -68.4 53.8 36.6 13.6 -4.2 -3.3 44 44 A S T > S+ 0 0 23 -35,-2.2 3,-1.9 -33,-0.3 -1,-0.3 0.754 84.4 152.0 60.7 25.9 11.6 -1.4 -4.9 45 45 A Q T < S+ 0 0 124 -3,-1.8 -2,-0.1 -36,-0.4 3,-0.1 0.843 79.0 39.3 -52.0 -36.8 12.7 1.1 -2.2 46 46 A L T 3 S- 0 0 58 1,-0.4 -1,-0.3 -5,-0.3 2,-0.2 0.313 130.9 -84.8 -95.5 4.3 12.3 3.9 -4.8 47 47 A G < - 0 0 26 -3,-1.9 -1,-0.4 -38,-0.1 -38,-0.1 -0.680 62.4 -50.4 113.9-173.9 9.2 2.5 -6.5 48 48 A D > - 0 0 32 -2,-0.2 4,-2.6 -3,-0.1 5,-0.2 -0.105 65.3 -84.8 -89.1-172.3 8.7 -0.1 -9.2 49 49 A D H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.829 128.6 53.8 -67.6 -36.0 10.3 -0.2 -12.6 50 50 A R H > S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.931 112.8 45.0 -60.6 -45.0 7.8 2.1 -14.2 51 51 A A H > S+ 0 0 30 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.912 112.1 50.6 -63.7 -44.3 8.5 4.6 -11.4 52 52 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.864 106.1 55.5 -68.0 -35.3 12.3 4.2 -11.7 53 53 A L H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.912 107.4 50.7 -59.9 -39.4 12.2 4.7 -15.5 54 54 A K H X S+ 0 0 133 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.877 107.6 53.4 -62.7 -38.9 10.4 8.1 -14.8 55 55 A Q H X>S+ 0 0 39 -4,-1.8 5,-1.4 2,-0.2 6,-1.4 0.863 107.6 50.0 -68.2 -35.0 13.2 9.0 -12.3 56 56 A L H <5S+ 0 0 0 -4,-2.2 165,-0.5 4,-0.2 3,-0.4 0.938 110.6 51.1 -64.2 -44.5 15.8 8.3 -15.0 57 57 A K H <5S+ 0 0 111 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.923 114.3 42.5 -56.2 -45.0 13.9 10.5 -17.4 58 58 A D H <5S- 0 0 90 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.644 113.1-119.3 -74.7 -18.6 13.7 13.3 -14.8 59 59 A G T <5S+ 0 0 22 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.472 83.8 113.6 86.9 9.3 17.3 12.8 -13.8 60 60 A S S > - 0 0 36 -2,-0.3 3,-1.2 147,-0.2 4,-0.5 -0.576 27.9-120.8 -76.1 149.8 13.2 -5.4 -19.9 68 68 A S G >4 S+ 0 0 0 1,-0.2 3,-1.5 -2,-0.2 4,-0.1 0.914 116.0 60.3 -52.1 -40.6 13.0 -4.6 -23.6 69 69 A A G >4 S+ 0 0 4 1,-0.3 3,-1.9 12,-0.2 -1,-0.2 0.741 87.6 72.4 -61.5 -27.2 9.3 -5.7 -23.3 70 70 A R G X4 S+ 0 0 12 -3,-1.2 3,-1.8 1,-0.3 -1,-0.3 0.771 81.4 73.0 -62.6 -23.5 8.7 -2.9 -20.6 71 71 A F G XX + 0 0 1 -3,-1.5 4,-2.4 -4,-0.5 3,-1.9 0.584 69.0 89.6 -71.8 -4.4 8.8 -0.3 -23.4 72 72 A Q G <4 S+ 0 0 26 -3,-1.9 -1,-0.3 6,-0.3 7,-0.2 0.746 73.1 73.8 -55.9 -23.8 5.5 -1.6 -24.6 73 73 A L G <4 S+ 0 0 86 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.795 113.7 21.2 -59.9 -26.2 4.2 1.1 -22.2 74 74 A F T <4 S+ 0 0 93 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.700 134.6 33.6-113.6 -31.2 5.3 3.6 -24.7 75 75 A Y S >< S- 0 0 21 -4,-2.4 3,-2.2 1,-0.1 -1,-0.3 -0.933 70.4-157.5-131.1 101.0 5.5 1.8 -28.1 76 76 A P G > S+ 0 0 74 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.816 88.1 64.1 -60.8 -30.2 2.8 -0.9 -28.1 77 77 A E G > S+ 0 0 13 1,-0.3 3,-1.9 2,-0.1 -5,-0.1 0.738 84.5 76.4 -61.0 -22.3 4.6 -3.0 -30.8 78 78 A A G X S+ 0 0 0 -3,-2.2 3,-1.5 1,-0.3 -6,-0.3 0.591 70.2 86.1 -70.2 -5.9 7.4 -3.5 -28.3 79 79 A A G X> + 0 0 6 -3,-1.8 3,-2.3 1,-0.3 4,-0.7 0.692 66.4 86.0 -60.5 -18.9 5.1 -6.1 -26.6 80 80 A V G X4 S+ 0 0 0 -3,-1.9 3,-0.6 1,-0.3 7,-0.3 0.828 76.6 65.7 -53.4 -32.1 6.5 -8.5 -29.1 81 81 A F G <4 S+ 0 0 10 -3,-1.5 130,-0.3 1,-0.2 -1,-0.3 0.680 113.8 29.2 -60.9 -22.4 9.4 -9.1 -26.7 82 82 A A G <4 S+ 0 0 3 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.207 77.4 128.6-129.3 11.6 7.0 -10.7 -24.2 83 83 A L S XX S- 0 0 3 -4,-0.7 3,-2.1 -3,-0.6 4,-0.6 -0.602 78.9 -98.4 -60.7 121.5 4.2 -12.3 -26.3 84 84 A P T 34 S- 0 0 0 0, 0.0 126,-0.2 0, 0.0 125,-0.1 -0.205 98.7 -0.2 -56.8 133.6 4.3 -15.7 -24.8 85 85 A Y T 34 S+ 0 0 38 124,-1.8 125,-0.1 2,-0.2 -2,-0.0 0.374 102.4 104.0 72.4 2.8 6.3 -18.2 -26.9 86 86 A V T <4 S+ 0 0 19 -3,-2.1 2,-0.5 123,-0.2 -5,-0.1 0.973 71.6 56.8 -78.0 -56.7 7.2 -15.8 -29.6 87 87 A I S < S- 0 0 15 -4,-0.6 -2,-0.2 -7,-0.3 -1,-0.1 -0.655 74.9-161.8 -75.1 119.0 10.9 -15.1 -28.6 88 88 A S - 0 0 83 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.886 56.9 -25.5 -73.1 -42.4 12.5 -18.6 -28.6 89 89 A N S > S- 0 0 47 122,-0.1 4,-2.1 1,-0.1 3,-0.3 -0.923 72.8 -80.0-160.4 178.1 15.6 -18.0 -26.6 90 90 A Y H > S+ 0 0 27 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.882 121.3 62.7 -64.3 -35.3 18.1 -15.4 -25.4 91 91 A N H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 107.9 44.3 -51.6 -44.9 20.0 -15.6 -28.7 92 92 A V H > S+ 0 0 3 -3,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.915 109.3 55.9 -68.3 -44.6 16.8 -14.3 -30.4 93 93 A A H X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.878 108.6 48.6 -53.0 -41.3 16.3 -11.7 -27.7 94 94 A Q H X S+ 0 0 75 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.939 114.8 42.7 -66.3 -47.2 19.8 -10.2 -28.4 95 95 A K H X S+ 0 0 69 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.848 109.8 59.4 -70.2 -31.9 19.4 -10.1 -32.2 96 96 A A H < S+ 0 0 0 -4,-2.9 7,-0.5 -5,-0.2 4,-0.3 0.915 113.7 36.3 -60.1 -43.5 15.8 -8.8 -31.8 97 97 A L H < S+ 0 0 0 -4,-1.7 10,-0.3 -5,-0.2 -2,-0.2 0.934 132.3 23.5 -76.9 -44.8 17.1 -5.7 -29.9 98 98 A F H < S+ 0 0 79 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.677 124.4 43.4-100.1 -19.8 20.4 -5.0 -31.6 99 99 A D S < S+ 0 0 107 -4,-2.3 2,-0.3 -5,-0.3 -1,-0.1 0.006 95.6 75.0-126.5 24.2 20.1 -6.6 -35.1 100 100 A T S > S- 0 0 11 -4,-0.3 4,-2.5 -3,-0.2 5,-0.2 -0.938 78.0-124.4-126.1 155.8 16.6 -5.7 -36.4 101 101 A E H > S+ 0 0 133 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.904 114.2 55.4 -62.7 -38.8 15.4 -2.4 -37.7 102 102 A F H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 110.8 43.4 -55.7 -49.8 12.6 -2.5 -35.1 103 103 A G H > S+ 0 0 0 -7,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.927 112.1 51.0 -68.5 -44.3 15.1 -3.0 -32.3 104 104 A K H X S+ 0 0 92 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.906 111.4 49.2 -61.3 -40.7 17.6 -0.3 -33.4 105 105 A D H X S+ 0 0 80 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.890 107.9 54.4 -64.5 -38.2 14.8 2.2 -33.7 106 106 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.913 106.9 51.3 -62.1 -42.9 13.5 1.3 -30.2 107 107 A I H X S+ 0 0 42 -4,-2.3 4,-1.6 -10,-0.3 -1,-0.2 0.921 110.5 49.0 -61.5 -43.3 17.0 2.0 -28.8 108 108 A K H X S+ 0 0 154 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.904 111.5 49.6 -61.9 -41.2 17.0 5.4 -30.6 109 109 A K H X>S+ 0 0 26 -4,-2.4 4,-2.9 2,-0.2 5,-1.0 0.877 103.7 58.2 -68.1 -38.1 13.5 6.2 -29.2 110 110 A M H X5S+ 0 0 0 -4,-2.5 6,-1.8 3,-0.2 4,-0.9 0.915 113.3 41.7 -54.9 -42.2 14.5 5.3 -25.7 111 111 A D H X5S+ 0 0 83 -4,-1.6 4,-1.1 4,-0.2 -2,-0.2 0.973 121.7 38.4 -66.5 -56.7 17.2 8.0 -25.9 112 112 A K H <5S+ 0 0 161 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.894 131.2 22.6 -66.5 -45.6 15.1 10.7 -27.7 113 113 A D H <5S+ 0 0 56 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.766 129.2 36.8 -95.0 -33.6 11.8 10.3 -26.0 114 114 A L H < S- 0 0 47 133,-0.2 3,-1.4 -3,-0.2 4,-0.3 -0.937 85.6 -84.4-158.9 171.3 -1.6 -30.0 -18.0 138 138 A I G > S+ 0 0 44 133,-0.3 3,-1.7 -2,-0.3 4,-0.4 0.782 119.0 71.7 -55.6 -28.7 -3.2 -26.8 -19.3 139 139 A A G > S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.860 89.4 60.8 -56.1 -35.6 -6.5 -28.0 -17.6 140 140 A D G < S+ 0 0 44 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.647 92.5 66.0 -71.1 -13.5 -5.0 -27.3 -14.2 141 141 A M G X S+ 0 0 0 -3,-1.7 3,-2.0 -4,-0.3 -1,-0.3 0.641 72.6 115.3 -73.9 -19.6 -4.6 -23.6 -15.1 142 142 A K T < S- 0 0 159 -3,-1.5 21,-0.2 -4,-0.4 3,-0.1 -0.367 96.0 -9.5 -63.3 120.3 -8.3 -23.1 -15.2 143 143 A G T 3 S+ 0 0 34 19,-2.3 -1,-0.3 1,-0.2 2,-0.3 0.470 91.0 152.3 71.4 1.5 -9.3 -20.7 -12.5 144 144 A L < - 0 0 0 -3,-2.0 20,-3.1 18,-0.1 2,-0.7 -0.484 48.2-128.6 -64.0 125.8 -5.8 -20.8 -10.9 145 145 A K E -h 164 0C 101 -2,-0.3 38,-2.4 18,-0.2 39,-1.3 -0.715 33.2-168.9 -81.8 115.3 -5.3 -17.4 -9.2 146 146 A L E -hi 165 184C 0 18,-2.1 20,-2.4 -2,-0.7 2,-0.3 -0.919 18.8-141.3-118.0 115.9 -2.0 -16.2 -10.6 147 147 A A E +h 166 0C 2 37,-2.9 39,-0.4 -2,-0.6 35,-0.0 -0.567 32.9 170.2 -64.2 135.0 -0.0 -13.3 -9.3 148 148 A V E -h 167 0C 3 18,-1.7 20,-2.5 -2,-0.3 7,-0.0 -0.952 35.7 -98.2-140.2 158.7 1.5 -11.4 -12.2 149 149 A P - 0 0 36 0, 0.0 2,-2.2 0, 0.0 20,-0.2 -0.323 50.5 -90.7 -67.6 166.3 3.3 -8.0 -12.6 150 150 A N S S+ 0 0 54 18,-0.4 2,-0.3 17,-0.1 19,-0.0 -0.518 89.0 119.0 -77.2 73.2 1.5 -5.0 -13.7 151 151 A A > - 0 0 11 -2,-2.2 4,-2.1 1,-0.1 3,-0.4 -0.992 66.1-135.0-146.3 131.8 2.3 -5.7 -17.4 152 152 A A H > S+ 0 0 58 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.849 103.2 54.8 -58.7 -39.6 -0.2 -6.4 -20.2 153 153 A T H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.868 109.9 45.0 -66.4 -38.6 1.8 -9.4 -21.6 154 154 A N H > S+ 0 0 6 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.885 111.6 52.9 -74.0 -36.7 1.8 -11.3 -18.3 155 155 A L H X S+ 0 0 56 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.911 110.7 49.0 -58.1 -42.1 -1.8 -10.5 -17.8 156 156 A A H X S+ 0 0 9 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.872 104.9 56.8 -68.0 -38.5 -2.5 -12.0 -21.2 157 157 A Y H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 6,-0.3 0.964 112.7 42.7 -53.2 -52.6 -0.4 -15.1 -20.5 158 158 A A H X>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 4,-0.5 0.946 116.4 47.4 -60.6 -51.0 -2.7 -15.8 -17.5 159 159 A K H ><5S+ 0 0 138 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.941 111.4 48.2 -55.4 -53.3 -5.9 -14.9 -19.3 160 160 A Y H 3<5S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.789 109.4 51.8 -69.9 -26.2 -5.3 -16.9 -22.5 161 161 A V H 3<5S- 0 0 8 -4,-1.6 -1,-0.3 -5,-0.3 -20,-0.2 0.514 123.4-103.1 -82.5 -3.0 -4.2 -20.2 -20.6 162 162 A G T <<5S+ 0 0 17 -3,-1.5 -19,-2.3 -4,-0.5 -3,-0.2 0.441 77.6 132.3 98.3 1.3 -7.5 -19.9 -18.6 163 163 A A < - 0 0 10 -5,-2.1 -1,-0.3 -6,-0.3 -18,-0.2 -0.187 58.6-119.0 -79.5 174.3 -6.0 -18.6 -15.3 164 164 A S E -h 145 0C 56 -20,-3.1 -18,-2.1 -23,-0.2 2,-0.1 -0.902 32.3-150.5-118.2 98.2 -7.3 -15.7 -13.2 165 165 A P E -h 146 0C 41 0, 0.0 -18,-0.2 0, 0.0 -20,-0.1 -0.458 16.2-169.9 -79.2 142.5 -4.6 -13.0 -12.9 166 166 A T E -h 147 0C 63 -20,-2.4 -18,-1.7 -2,-0.1 2,-0.2 -0.942 19.8-148.6-119.3 106.2 -4.1 -10.6 -10.0 167 167 A P E +h 148 0C 53 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.521 32.2 150.1 -73.2 141.4 -1.6 -8.0 -11.0 168 168 A M - 0 0 18 -20,-2.5 -18,-0.4 -2,-0.2 2,-0.2 -0.970 48.8 -79.1-160.7 166.0 0.5 -6.7 -8.2 169 169 A A > - 0 0 29 -2,-0.3 3,-1.9 -20,-0.2 4,-0.4 -0.510 41.9-118.6 -71.0 148.2 3.9 -5.2 -7.3 170 170 A F G > S+ 0 0 41 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.864 112.9 62.8 -56.9 -36.9 6.8 -7.7 -6.9 171 171 A S G 3 S+ 0 0 79 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.715 102.6 51.3 -60.1 -20.9 7.2 -6.7 -3.3 172 172 A E G <> S+ 0 0 110 -3,-1.9 4,-1.7 1,-0.1 -1,-0.3 0.518 86.4 85.8 -95.0 -9.9 3.7 -8.0 -2.5 173 173 A V H <> S+ 0 0 7 -3,-1.5 4,-2.3 -4,-0.4 5,-0.2 0.913 81.2 55.8 -66.7 -45.9 3.9 -11.5 -4.1 174 174 A Y H > S+ 0 0 63 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.893 111.1 44.6 -54.0 -48.8 5.4 -13.5 -1.2 175 175 A L H > S+ 0 0 110 -4,-0.3 4,-2.3 1,-0.2 6,-0.3 0.879 110.5 55.2 -67.3 -37.7 2.6 -12.5 1.2 176 176 A A H <>S+ 0 0 11 -4,-1.7 6,-1.6 2,-0.2 5,-1.2 0.898 113.3 42.0 -59.3 -42.4 -0.0 -13.2 -1.5 177 177 A L H ><5S+ 0 0 1 -4,-2.3 3,-1.2 3,-0.2 -2,-0.2 0.938 113.5 52.2 -66.4 -46.8 1.4 -16.7 -2.0 178 178 A Q H 3<5S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.834 115.0 40.5 -61.4 -41.0 1.8 -17.4 1.8 179 179 A T T 3<5S- 0 0 82 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.437 108.7-122.7 -84.9 -3.8 -1.8 -16.4 2.6 180 180 A N T < 5 + 0 0 90 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.684 69.1 138.1 57.2 26.6 -3.2 -18.2 -0.5 181 181 A A S > -E 127 0B 3 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.315 46.6-102.7 -62.4 160.3 12.0 -17.2 -13.7 189 189 A L H 3> S+ 0 0 2 -63,-0.6 4,-2.2 1,-0.3 5,-0.2 0.830 119.4 61.2 -54.9 -38.5 13.6 -19.8 -11.4 190 190 A A H 3> S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.850 107.0 45.5 -61.1 -38.8 16.2 -17.4 -10.1 191 191 A A H <> S+ 0 0 10 -3,-0.9 4,-2.7 2,-0.2 6,-0.4 0.848 106.1 58.3 -73.1 -35.0 13.5 -15.1 -8.7 192 192 A V H <>S+ 0 0 4 -4,-1.8 5,-1.4 2,-0.2 6,-1.1 0.913 114.9 40.0 -56.9 -40.6 11.7 -18.1 -7.2 193 193 A Q H ><5S+ 0 0 72 -4,-2.2 3,-1.3 3,-0.2 -2,-0.2 0.966 115.9 48.6 -68.0 -54.5 15.0 -18.7 -5.3 194 194 A A H 3<5S+ 0 0 18 -4,-2.9 -2,-0.2 1,-0.3 -180,-0.2 0.880 118.6 38.6 -59.9 -43.9 15.9 -15.1 -4.6 195 195 A Q T 3<5S- 0 0 43 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.454 107.5-125.9 -82.7 -5.3 12.4 -14.2 -3.2 196 196 A K T X 5 + 0 0 96 -3,-1.3 3,-2.0 -4,-0.3 4,-0.3 0.801 55.3 153.8 58.1 36.4 12.1 -17.6 -1.5 197 197 A F G > < + 0 0 0 -5,-1.4 3,-1.7 -6,-0.4 4,-0.2 0.815 63.5 73.0 -62.8 -25.2 8.8 -18.3 -3.2 198 198 A Y G 3 S+ 0 0 29 -6,-1.1 3,-0.5 1,-0.3 -1,-0.3 0.701 85.3 65.1 -58.4 -23.2 9.7 -22.0 -2.7 199 199 A E G < S+ 0 0 106 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.722 113.8 30.9 -68.1 -21.4 9.0 -21.6 1.0 200 200 A V S < S+ 0 0 28 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.086 110.9 70.2-130.8 20.0 5.3 -20.9 0.2 201 201 A Q - 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